get reaction rates out of SimBiology
20 Sep 2011
This tool pulls the reaction rates out of your SimBiology model.
% rateout.m saves the reaction rates of SimBiology models in a global
% variable and later on helps exporting the stored data to
% the Matlab workspace.
% My model has 5 compartments, 299 parameters, 84 species and 76
% reactions and the simulation time does not increase
% significantly using this tool.
% It is not the most preferrable code but it does the job!
% Future-versions of SimBiology will hopefully render this tool
% obsolete - crossing fingers! :-/
% Emails with questions/comments to: email@example.com
% 1. Copy this file (rateout.m) into the same directory as your *.sbproj
% 2. Create a new parameter (here I used "temp") in your model and make
% sure to unmark the box for "ConstantValue"! Its value and unit are
% not important - feel free to set whatever you want.
% 3. Create a rule in your model:
% temp = rateout(-1)
% Set the rule type to [initialAssignment] and again, make sure that the
% parameter "temp" is NOT marked as constant. This part of rateout.m
% resets the temporary variables if you run your model again and again.
% 4. Create another rule in your model:
% temp = rateout(time)
% This time, set the rule type to [rate]. SimBiology seems to handle
% rules that are rates last. Hence, all other rates were already
% calculated. This seemed to be the only way to get to the rates.
% 5. Run your model. When Simbiology is done, your should already find the
% variables t, x, obj and so forth in your workspace (SimBiology puts
% them there). Type
% in Matlab's workspace and hit enter. If rateout.m is called without
% input parameters, it fetches the final SimBiology time "t" from your
% workspace, uses it to sort through all the intermediate results and
% exports only the useful points as variable "v". It further grabs your
% model and extracts the reaction names (if defined) and assigns them in
% the variable "vnames" in your workspace.
% 6. In order to plot the reaction rates you can use
% plot(t, v)
% or alternatively (I prefer this)
% plot(t, v, 'displayname', vnames)
% semilogx(t, v, 'displayname', vnames)
% The last two options allow you to click on a line and see the
% corresponding reaction in the property editor (field "displayname").
function time = rateout(time)
if nargin > 0 % if called by SimBiology
if time < 0 % initialize variables
t = ;
v = ;
else % save rates
try % this is necessary as v does not always exist - sorry
v(:,end+1) = evalin('caller', 'v');
t(end+1) = time;
else % if you called it from workspace
% extract reaction names from your model
evalin('base', 'vnames = get(obj.Reactions, ''Name'');');
% fetch the time line that SimBiology deemed worthy
basetime = evalin('base', 't');
% sort through temporary data
temp = zeros(length(basetime), size(v,1));
for i = 1:length(basetime)
p = find(t == basetime(i));
temp(i,:) = v(:,p(end));
assignin('base', 'v', temp);